LAMMPS (09 Jan 2020)
units		metal
dimension	3
boundary	p f p

atom_style	atomic
neighbor	2.0 bin

# create geometry

lattice		sc 10
Lattice spacing in x,y,z = 10 10 10
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (100 100 100)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 1000 atoms
  create_atoms CPU = 0 secs

mass		1 39.95

# LJ potentials

pair_style	lj/cut 8.5
pair_coeff	* * 0.01 3.4 8.5

# initial velocities

velocity	all create 300 482748
fix		1 all nve

# specular reflection

fix ywalls all wall/reflect ylo EDGE yhi EDGE

# run

thermo		1000
run		10000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.5
  ghost atom cutoff = 10.5
  binsize = 5.25, bins = 20 20 20
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.137 | 3.137 | 3.137 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0    38.739265    41.378094 
    1000    305.24846  -0.81252388            0    38.604479    42.984882 
    2000    313.42563   -1.9181413            0    38.554788    43.314782 
    3000      312.765   -1.8445772            0    38.543044    44.006858 
    4000    312.70958   -1.8420045            0     38.53846    44.808265 
    5000     313.4634   -1.9373681            0    38.540438     43.27283 
    6000    314.19203   -2.0319378            0    38.539957    44.403177 
    7000    314.51643   -2.0700345            0    38.543751    42.566368 
    8000    314.67639   -2.0991652            0    38.535275     44.02504 
    9000    315.17416   -2.1591689            0     38.53955    43.421838 
   10000    314.20849   -2.0315185            0    38.542502    43.522426 
Loop time of 1.08403 on 1 procs for 10000 steps with 1000 atoms

Performance: 797.028 ns/day, 0.030 hours/ns, 9224.862 timesteps/s
56.0% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.96636    | 0.96636    | 0.96636    |   0.0 | 89.15
Neigh   | 0.0087926  | 0.0087926  | 0.0087926  |   0.0 |  0.81
Comm    | 0.022686   | 0.022686   | 0.022686   |   0.0 |  2.09
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0.071106   | 0.071106   | 0.071106   |   0.0 |  6.56
Other   |            | 0.01508    |            |       |  1.39

Nlocal:    1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    480 ave 480 max 480 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2304 ave 2304 max 2304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2304
Ave neighs/atom = 2.304
Neighbor list builds = 87
Dangerous builds = 0
Total wall time: 0:00:01
